3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

C23H25N3O3 — CID 24979647

IUPAC3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C23H25N3O3/c1-16-8-10-18(11-9-16)26-15-21(23(27)24-14-20-7-4-12-29-20)22(25-26)17-5-3-6-19(13-17)28-2/h3,5-6,8-11,13,15,20H,4,7,12,14H2,1-2H3,(H,24,27)
InChIKeyPRBWOVVYFHCVHG-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.77
Rot. Bonds6

About 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 24979647) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID24979647
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C23H25N3O3/c1-16-8-10-18(11-9-16)26-15-21(23(27)24-14-20-7-4-12-29-20)22(25-26)17-5-3-6-19(13-17)28-2/h3,5-6,8-11,13,15,20H,4,7,12,14H2,1-2H3,(H,24,27)
InChIKeyPRBWOVVYFHCVHG-UHFFFAOYSA-N
XLogP3.77
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (CID 24979647) is 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is PRBWOVVYFHCVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-8-10-18(11-9-16)26-15-21(23(27)24-14-20-7-4-12-29-20)22(25-26)17-5-3-6-19(13-17)28-2/h3,5-6,8-11,13,15,20H,4,7,12,14H2,1-2H3,(H,24,27).
What are the key properties of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24979647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).